1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C15H16BrNOS — CID 114684152

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCC(O)(c1ccc2c(c1)CCCC2)c1nc(Br)cs1
InChIInChI=1S/C15H16BrNOS/c1-15(18,14-17-13(16)9-19-14)12-7-6-10-4-2-3-5-11(10)8-12/h6-9,18H,2-5H2,1H3
InChIKeyDGUKOOTVRREBKW-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 114684152) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID114684152
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESCC(O)(c1ccc2c(c1)CCCC2)c1nc(Br)cs1
InChIInChI=1S/C15H16BrNOS/c1-15(18,14-17-13(16)9-19-14)12-7-6-10-4-2-3-5-11(10)8-12/h6-9,18H,2-5H2,1H3
InChIKeyDGUKOOTVRREBKW-UHFFFAOYSA-N
XLogP4.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 114684152) is 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is CC(O)(c1ccc2c(c1)CCCC2)c1nc(Br)cs1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is DGUKOOTVRREBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-15(18,14-17-13(16)9-19-14)12-7-6-10-4-2-3-5-11(10)8-12/h6-9,18H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 338.27 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 114684152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).